2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid

C16H23N3O5 — CID 120965247

IUPAC2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCOC(=O)c1ccc(N2CCOC(CN(C)CC(=O)O)C2)nc1
InChIInChI=1S/C16H23N3O5/c1-3-23-16(22)12-4-5-14(17-8-12)19-6-7-24-13(10-19)9-18(2)11-15(20)21/h4-5,8,13H,3,6-7,9-11H2,1-2H3,(H,20,21)
InChIKeyAKQYBYQCRGTBDO-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.48
Rot. Bonds7

About 2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 120965247) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID120965247
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCOC(=O)c1ccc(N2CCOC(CN(C)CC(=O)O)C2)nc1
InChIInChI=1S/C16H23N3O5/c1-3-23-16(22)12-4-5-14(17-8-12)19-6-7-24-13(10-19)9-18(2)11-15(20)21/h4-5,8,13H,3,6-7,9-11H2,1-2H3,(H,20,21)
InChIKeyAKQYBYQCRGTBDO-UHFFFAOYSA-N
XLogP0.48
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate
CID 78946431
2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120965265
ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate
CID 133363565
2-[4-(5-methyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66433835
6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxamide
CID 79839721
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
ethyl 6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 62371889
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
1-[4-(5-ethyl-2-pyridinyl)morpholin-2-yl]-N,N-dimethylmethanamine
CID 70962971
2-[[4-(3-bromo-4-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120965260
2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122051970
6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide
CID 43562927

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid (CID 120965247) is 2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid is CCOC(=O)c1ccc(N2CCOC(CN(C)CC(=O)O)C2)nc1.
What is the InChIKey of 2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is AKQYBYQCRGTBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-3-23-16(22)12-4-5-14(17-8-12)19-6-7-24-13(10-19)9-18(2)11-15(20)21/h4-5,8,13H,3,6-7,9-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 337.38 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 120965247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).